Detailed information for compound 1421611

Basic information

Technical information
  • TDR Targets ID: 1421611
  • Name: MLS000048854
  • MW: 375.442 | Formula: C18H21N3O4S
  • H donors: 2 H acceptors: 3 LogP: 1.37 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)N1CCOCC1
  • InChi: 1S/C18H21N3O4S/c1-14(22)19-15-4-8-18(9-5-15)26(23,24)20-16-2-6-17(7-3-16)21-10-12-25-13-11-21/h2-9,20H,10-13H2,1H3,(H,19,22)
  • InChiKey: XTRYMMPZGTVJKW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide
  • N-[4-[(4-morpholinophenyl)sulfamoyl]phenyl]acetamide
  • N-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]ethanamide
  • SMR000061417
  • T0509-0524
  • ZINC03237893

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutaminase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Aminotransferase class III 0.016 0.0994 1
Echinococcus granulosus ornithine aminotransferase 0.016 0.0994 1
Loa Loa (eye worm) hypothetical protein 0.0159 0.0988 0.3822
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.0823 0.0874
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0142 0.0823 0.4972
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0142 0.0823 0.4972
Loa Loa (eye worm) glutaminase 0.033 0.2585 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.0823 0.0874
Echinococcus multilocularis ornithine aminotransferase 0.016 0.0994 1
Mycobacterium ulcerans hypothetical protein 0.1124 1 1
Plasmodium vivax ornithine aminotransferase, putative 0.016 0.0994 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0142 0.0823 0.4972
Loa Loa (eye worm) glutaminase 2 0.033 0.2585 1
Brugia malayi RNA binding protein 0.0123 0.0655 0.2533
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0142 0.0823 0.3185
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.016 0.0994 1
Loa Loa (eye worm) RNA binding protein 0.0123 0.0655 0.2533
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0 0.5
Schistosoma mansoni glutaminase 0.033 0.2585 1
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0123 0.0655 0.2533
Loa Loa (eye worm) TAR-binding protein 0.0123 0.0655 0.2533
Plasmodium falciparum ornithine aminotransferase 0.016 0.0994 1
Echinococcus multilocularis ornithine aminotransferase 0.016 0.0994 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.1124 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0 0.5
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.1124 1 1
Onchocerca volvulus 0.0159 0.0988 0.5
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.1124 1 1
Mycobacterium ulcerans glutaminase 0.033 0.2585 0.1766
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.0823 0.0874
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.016 0.0994 0.3845
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.016 0.0994 0.5
Brugia malayi glutaminase DH11.1 0.033 0.2585 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0142 0.0823 0.3185
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.016 0.0994 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0123 0.0655 0.2533
Brugia malayi hypothetical protein 0.0159 0.0988 0.3822
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0142 0.0823 0.4972
Brugia malayi TAR-binding protein 0.0123 0.0655 0.2533
Leishmania major hypothetical protein, conserved 0.0053 0 0.5
Schistosoma mansoni ornithine--oxo-acid transaminase 0.016 0.0994 0.1758
Echinococcus granulosus Aminotransferase class III 0.016 0.0994 1
Mycobacterium tuberculosis Probable aminotransferase 0.1124 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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